3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H15ClN4O2 — CID 102703133

IUPAC3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-8-4-5-9(7-10(8)15)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyIRSZKZKLVBYUGN-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102703133) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102703133
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1Cl
InChIInChI=1S/C14H15ClN4O2/c1-8-4-5-9(7-10(8)15)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyIRSZKZKLVBYUGN-UHFFFAOYSA-N
XLogP2.71
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 102703133) is 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is IRSZKZKLVBYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-8-4-5-9(7-10(8)15)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20).
What are the key properties of 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 306.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102703133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).